Hologram QSAR studies on farnesoid X receptor activators

被引：20

作者：

Honorio, Kathia M. ^{[1
]}

Garratt, Richard C. ^{[1
]}

Polikarpov, Igor ^{[1
]}

Andricopulo, Adriano D. ^{[1
]}

机构：

[1] Univ Sao Paulo, Inst Fis Sao Carlos, Ctr Biotecnol Mol Estrutural, Lab Quim Med & Computac, BR-13560970 Sao Carlos, SP, Brazil

来源：

LETTERS IN DRUG DESIGN & DISCOVERY | 2006年 / 3卷 / 04期

关键词：

hQSAR; drug design; FXR; medicinal chemistry; cholesterol;

D O I：

10.2174/157018006776743206

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Farsenoid X receptor (FXR) is an attractive drug target due to its role in the regulation of cholesterol and bile acid levels' Hologram quantitative structure-activity relationships (HQSAR) were conducted on a series of FXR activators, and the final model obtained was used to predict the potency of 10 test set compounds. The predicted values were in good agreement with the experimental results.

引用

页码：261 / 267

页数：7

共 16 条

[11] Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid [J].